SCHEMBL13149244

SCHEMBL13149244

C=CC[C@@H](C)OCc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
IDO1 P14902 3/20 0.46
AGXT P21549 2/20 0.46
SLC6A4 P31645 1/20 0.43
APP P05067 4/20 0.41
FFAR1 O14842 1/20 0.41
MAOB P27338 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
APLNR P35414 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31388986 1.00 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL6503347 0.84 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL6503342 0.84 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL21996211 0.83 IDO1 (0.46) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL12772124 0.83 IDO1 (0.46) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL13999314 0.83 TAAR1 (0.40) IDO1APP
SCHEMBL18595399 0.81 RCE1 (0.43) ALOX15TSHRSMN1; SMN2IDO1AGXT
SCHEMBL31728426 0.81 RCE1 (0.43) ALOX15TSHRSMN1; SMN2IDO1AGXT
SCHEMBL13149138 0.81 IDO1 (0.47) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL12770001 0.80 IDO1 (0.42) ALDH1A1TP53CYP3A4ALOX15TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513440-B2 Compositions and methods comprising analogues of radicicol A UNIVERSITE DE STRASBOURG (FR) 2013-08-20 US disclosed
US-20100233279-A1 Compositions And Methods Comprising Analogues Of Radicicol A CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-09-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100233279-A1 Compositions And Methods Comprising Analogues Of Radicicol A CSNK1A1L, CSNK1A1, ALPL ALDH1A1 1480/4885TP53 1272/4885CYP3A4 3362/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.